PDF) Improved initial guess for minimum energy path calculations
Webinar 14: Beyond Critical Points: Ab Initio Dynamics & Sampling in Q-Chem - YouTube
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
QCLAB
New Methods and Models for Condensed Phase Simulations
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
PDF) Fast and accurate Coulomb calculation with Gaussian functions
Q-Chem 5.1 User's Manual : Dual-Basis Self-Consistent Field Calculations
New Methods and Models for Condensed Phase Simulations
Assessment of Initial Guesses for Self-Consistent Field Calculations. Superposition of Atomic Potentials: Simple yet Efficient. - Abstract - Europe PMC
New Methods and Models for Condensed Phase Simulations
PDF) Starting SCF calculations by superposition of atomic densities | Martyn Guest - Academia.edu
PDF) Spin-Orbit Coupling from a Two-Component Self-Consistent Approach. I. Generalised Hartree-Fock Theory
Q-Chem 4.2 User's Manual
Frontiers | Chemical Reactivity and Spectroscopy Explored From QM/MM Molecular Dynamics Simulations Using the LIO Code | Chemistry
Diagonalization-free initial guess to SCF calculations for large molecules - ScienceDirect
A tiered approach to Monte Carlo sampling with self-consistent field potentials: The Journal of Chemical Physics: Vol 135, No 18
QChem Manual | Modern Physics | Computational Chemistry
PDF) σ-SCF: A Direct Energy-targeting Method To Mean-field Excited States
PDF) Q-Chem 2.0: a high-performanceab initio electronic structure program package | Christopher J White, MD, MACC, MSCAI - Academia.edu
Variational calculations of excited states via direct optimization of the orbitals in DFT - Faraday Discussions (RSC Publishing) DOI:10.1039/D0FD00064G
